NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 K 4.3790 8.1733 120.0855 55.6408 34.7302 174.5029 16 K 4.8716 7.9866 118.7650 54.1834 35.7479 173.8721 17 R 4.6270 9.0288 120.6309 54.8867 35.4393 173.4924 18 Y 5.2861 8.8777 119.7956 56.0897 41.2812 174.6983 19 I 4.8926 8.9441 117.0662 59.0237 40.6037 174.2961 20 A 5.0173 8.7547 128.9784 50.9462 20.5374 175.9856 21 F 5.3371 8.5417 115.3418 55.1922 42.1687 173.3367 22 K 4.9787 9.0646 120.5402 54.5429 35.8483 174.9111 23 V 4.9883 8.4339 124.9899 60.1048 33.7850 175.1551 24 I 4.4163 8.9631 126.4040 60.2966 38.1832 174.6123 25 S 4.7843 8.3378 120.4570 56.9376 65.2675 173.6469 26 E 4.0597 8.9669 123.6132 57.9962 29.5757 175.7258 27 N 4.9533 7.4666 113.3262 50.2774 40.3713 173.5687 28 Q 4.3189 8.0037 117.0468 55.7611 29.5226 175.7390 29 F 5.3412 8.5563 117.2914 56.0423 43.2367 174.2035 30 N 5.3381 8.5547 120.0739 51.2944 39.6066 176.1155 31 K 4.0684 8.7742 118.8336 60.1070 32.0915 178.6908 32 D 4.3296 8.1944 118.3174 57.5797 40.7503 178.8556 33 E 3.8648 8.2996 119.2034 59.4829 29.5491 179.5555 34 I 3.4378 7.3190 112.4401 63.3523 37.4387 177.9239 35 K 3.7235 7.8828 121.7215 59.2957 32.0113 178.2461 36 E 3.8854 8.0576 119.2124 59.2157 29.5068 178.2360 37 A 3.9162 7.8812 120.7417 55.6421 18.2685 179.5113 38 I 3.5068 7.9625 118.2709 64.3624 37.0421 178.4383 39 W 3.8950 7.9861 128.9014 60.5436 30.6413 177.6244 40 N 4.2273 8.5678 116.2519 56.4171 37.9878 177.1160 41 A 3.9151 8.2611 122.2248 55.6283 18.5102 179.6298 42 C 4.0622 7.6568 115.0808 62.4800 28.0750 176.4897 43 L 3.6830 7.6344 120.8288 57.7206 41.0212 179.6424 44 R 3.8715 7.9063 116.7580 59.6595 30.1263 179.0929 45 T 4.1108 7.6747 113.9411 66.1395 69.0810 176.3697 46 L 4.3870 8.3167 119.6016 53.0247 42.4163 177.4954 47 G 4.2895 7.6348 106.6947 45.0569 0.0000 174.5000 48 E 3.8137 8.5464 118.1674 59.1911 29.3158 179.6031 49 L 3.9492 7.8181 119.7471 58.1037 42.2597 178.8482 50 G 3.9872 7.8958 106.4316 47.6020 0.0000 175.3582 51 T 3.6710 8.1373 118.4611 66.1716 68.1690 176.4374 52 A 3.9681 7.5852 121.5341 55.1646 18.4238 179.6112 53 K 4.0209 7.7419 115.7235 59.5052 32.4511 179.2772 54 A 3.9856 8.1597 121.1718 52.6337 19.2676 176.9738 55 K 3.6460 8.2052 115.9085 57.1508 29.8790 172.4162 56 P 4.9669 0.0000 0.0000 61.9792 32.7441 177.1547 57 W 5.4848 9.4822 134.7379 55.7641 34.1832 174.0827 58 L 4.6573 7.7749 129.5812 53.7653 40.3330 175.7423 59 I 3.9176 8.2189 118.8774 63.2962 38.4402 176.6204 60 K 4.7109 7.8704 122.0731 54.8757 35.8269 174.7193 61 F 5.1659 8.6822 127.6346 56.4672 41.4033 174.1704 62 D 4.2289 8.7551 129.5568 53.2158 39.6030 176.2139 63 E 3.8177 8.3259 126.5516 59.3102 29.9432 179.1897 64 T 3.9261 7.7732 112.9188 64.9512 67.3882 175.1898 65 T 4.3328 7.8256 107.5438 60.4683 69.7970 174.3794 66 Q 3.1359 7.4559 120.2379 57.8568 26.9432 172.8839 67 T 4.6225 6.3586 112.6124 62.0079 73.8607 174.7174 68 G 4.2854 7.0697 109.0537 46.0411 0.0000 172.1148 69 I 5.3443 8.9002 120.3053 59.4464 41.0184 175.2384 70 I 4.9816 8.7820 125.2392 59.6277 41.2044 174.3553 71 R 5.0801 9.3759 126.1230 54.9538 32.9908 174.7106 72 S 5.2601 8.3482 117.6110 57.4338 67.0248 173.0223 73 D 4.5142 8.9970 121.3990 54.6066 41.3615 177.3698 74 R 3.7563 8.5849 125.6380 59.3881 30.1175 176.8063 75 N 4.7506 8.4156 112.7107 53.4948 38.7519 174.8375 76 H 5.0489 8.3523 114.4760 54.8730 30.9079 175.4366 77 V 3.4067 7.9853 120.9851 66.5192 31.2119 177.3376 78 Y 4.4255 7.5453 114.1552 59.8225 37.7483 177.2977 79 D 4.5445 8.0406 120.6534 56.6080 41.3562 178.7973 80 V 3.6339 7.6518 118.4326 65.7101 31.5346 178.0500 81 I 3.6458 7.8937 119.6725 64.4439 36.8428 177.8185 82 F 3.9164 8.0375 120.1082 61.8493 39.3418 177.2482 83 S 4.3255 8.1996 114.4547 61.5525 62.6795 176.6416 84 L 4.0096 7.9772 121.6977 57.9702 41.0599 179.6692 85 T 3.8496 7.7764 115.1722 66.3614 68.4464 175.9837 86 L 4.3174 7.0579 116.7373 54.6350 41.7253 177.2426 87 V 3.5840 7.1749 119.6734 62.8305 30.5757 175.8247 88 S 4.1903 8.5845 122.9194 60.4356 62.6718 173.4574 89 D 4.8624 7.5976 116.5205 51.4141 42.3875 174.9619 90 I 4.1116 7.9155 118.8754 60.3649 39.2484 173.7755 91 N 4.1716 8.9334 128.8027 54.7250 36.3979 175.9544 92 G 4.0681 8.5270 107.0833 45.2214 0.0000 174.0014 93 N 4.7583 7.7892 117.7383 51.2652 39.3043 174.5798 94 K 4.1148 8.7246 124.6705 57.1291 32.7362 175.3337 95 A 4.8434 7.7348 124.3486 51.3755 22.7640 175.3564 96 I 4.6985 8.4753 112.9022 59.0077 41.4870 174.1118 97 I 5.1195 8.3737 123.4268 59.1170 40.4154 174.4061 98 K 4.7703 8.8979 128.3942 54.9090 35.4922 176.2991 99 V 4.2958 8.4638 116.1707 61.5803 32.2362 176.1506 100 L 4.4076 9.5159 123.5078 53.8647 42.7420 177.2478 101 G 3.5762 6.6696 111.0685 44.8232 0.0000 171.7324 102 V 4.5868 7.1740 114.0571 59.9060 34.0811 175.1229 103 S 4.6078 8.5170 113.7169 57.5575 65.2167 175.9306 104 G 3.6662 8.7045 113.6736 47.8177 0.0000 174.7782 105 T 4.6530 7.4774 109.7599 59.3273 72.5130 175.6752 106 I 3.4973 7.6627 121.7260 64.0855 37.1433 178.4731 107 K 3.8871 7.9134 120.0496 59.6319 31.6687 178.6098 108 R 3.9298 7.8586 118.4506 59.1454 28.3700 178.3194 109 L 4.2155 7.7939 119.8225 58.0228 42.2182 178.7226 110 K 3.9429 8.8990 120.2877 59.2689 32.0501 177.2617 111 R 4.1647 8.0798 119.7854 57.7203 29.4685 177.0991 112 K 3.6728 6.9627 122.7498 58.1643 32.8741 176.8678 113 F 4.8368 7.8079 115.2813 59.1394 42.8053 176.1175 114 L 4.3777 7.7920 118.9618 57.4638 41.7231 179.4831 115 S 5.1175 8.4554 112.4414 61.0188 62.7366 174.6481 116 Q 4.5234 7.9758 117.3445 56.0138 29.0997 175.0195 117 F 4.6998 8.5081 118.5801 57.6618 42.6869 174.3994 118 G 4.0056 9.0023 107.3464 46.7766 0.0000 173.4373 119 W 4.8324 7.8536 118.0345 54.8394 32.7851 176.6425 120 R 4.2652 8.4848 115.7644 57.0610 28.2585 174.6682 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 15 K 8.17 4.38 0.00 1.73 1.90 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.49 7.81 16 K 7.99 4.87 0.00 1.58 1.34 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.46 7.81 17 R 9.03 4.63 0.00 1.55 1.63 0.00 3.22 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 18 Y 8.88 5.29 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.94 4.89 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.88 0.80 0.00 0.00 20 A 8.75 5.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.54 5.34 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 9.06 4.98 0.00 1.63 1.65 0.00 1.82 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.29 7.81 23 V 8.43 4.99 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.22 0.00 0.00 24 I 8.96 4.42 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.19 0.97 0.00 0.00 25 S 8.34 4.78 0.00 4.09 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.97 4.06 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 27 N 7.47 4.95 0.00 2.61 2.63 0.00 0.00 6.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.00 4.32 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 29 F 8.56 5.34 0.00 3.26 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.55 5.34 0.00 3.05 3.02 0.00 0.00 7.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.77 4.07 0.00 1.93 1.93 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.70 1.74 7.81 32 D 8.19 4.33 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.30 3.86 0.00 2.23 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 34 I 7.32 3.44 1.52 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.64 0.44 0.00 0.00 35 K 7.88 3.72 0.00 1.79 1.93 0.00 1.44 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.31 1.24 7.81 36 E 8.06 3.89 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 37 A 7.88 3.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.96 3.51 1.98 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.81 0.87 0.00 0.00 39 W 7.99 3.89 0.00 3.57 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.57 4.23 0.00 2.77 2.88 0.00 0.00 7.02 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.26 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.66 4.06 0.00 2.65 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.63 3.68 0.00 1.67 1.58 0.61 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.91 3.87 0.00 1.71 1.97 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 45 T 7.67 4.11 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 46 L 8.32 4.39 0.00 1.69 1.59 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.63 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.55 3.81 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 49 L 7.82 3.95 0.00 1.67 1.60 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.90 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.14 3.67 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 52 A 7.59 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.74 4.02 0.00 1.62 1.78 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.60 7.81 54 A 8.16 3.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.21 3.65 0.00 1.93 1.80 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.54 7.81 56 P 0.00 4.97 0.00 2.09 2.03 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.05 0.00 57 W 9.48 5.48 0.00 3.28 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.77 4.66 0.00 1.46 1.15 0.79 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.22 3.92 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 1.20 0.00 0.00 60 K 7.87 4.71 0.00 1.96 1.95 0.00 1.66 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.47 7.81 61 F 8.68 5.17 0.00 3.04 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.76 4.23 0.00 2.33 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.33 3.82 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.41 0.00 64 T 7.77 3.93 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 65 T 7.83 4.33 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 66 Q 7.46 3.14 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 67 T 6.36 4.62 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 68 G 7.07 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.90 5.34 1.95 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.79 1.02 0.00 0.00 70 I 8.78 4.98 1.93 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.98 0.99 0.00 0.00 71 R 9.38 5.08 0.00 1.98 1.94 0.00 3.09 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.07 0.00 72 S 8.35 5.26 0.00 4.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 9.00 4.51 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.58 3.76 0.00 1.82 1.93 0.00 3.30 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 75 N 8.42 4.75 0.00 2.65 2.67 0.00 0.00 6.79 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.35 5.05 0.00 3.09 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.99 3.41 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.80 0.00 0.00 78 Y 7.55 4.43 0.00 3.10 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.04 4.54 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.65 3.63 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 81 I 7.89 3.65 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.48 1.00 0.00 0.00 82 F 8.04 3.92 0.00 3.24 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.20 4.33 0.00 4.07 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.98 4.01 0.00 1.71 1.56 0.71 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.78 3.85 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 86 L 7.06 4.32 0.00 1.69 1.62 0.68 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.17 3.58 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.89 0.00 0.00 88 S 8.58 4.19 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.60 4.86 0.00 2.91 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.92 4.11 1.62 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.74 0.35 0.00 0.00 91 N 8.93 4.17 0.00 2.90 3.01 0.00 0.00 7.12 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.53 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 7.79 4.76 0.00 3.18 3.02 0.00 0.00 6.45 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.72 4.11 0.00 1.75 1.78 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.48 7.81 95 A 7.73 4.84 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.48 4.70 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.18 0.93 0.00 0.00 97 I 8.37 5.12 1.93 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.99 0.83 0.00 0.00 98 K 8.90 4.77 0.00 1.87 1.89 0.00 1.41 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.43 7.81 99 V 8.46 4.30 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.95 0.00 0.00 100 L 9.52 4.41 0.00 1.40 1.80 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 101 G 6.67 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.17 4.59 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.91 0.00 0.00 103 S 8.52 4.61 0.00 3.98 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.70 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.48 4.65 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 106 I 7.66 3.50 1.63 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 -0.36 0.81 0.00 0.00 107 K 7.91 3.89 0.00 1.78 1.81 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.46 7.81 108 R 7.86 3.93 0.00 1.92 2.08 0.00 3.37 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 109 L 7.79 4.22 0.00 2.01 1.90 0.84 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.90 3.94 0.00 1.93 1.98 0.00 2.25 0.00 0.00 1.90 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.60 7.81 111 R 8.08 4.16 0.00 2.16 1.87 0.00 3.21 0.00 0.00 3.15 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 112 K 6.96 3.67 0.00 0.89 0.89 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.36 7.81 113 F 7.81 4.84 0.00 2.96 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.79 4.38 0.00 1.60 0.91 -0.81 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.46 5.12 0.00 4.01 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.98 4.52 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.64 0.00 117 F 8.51 4.70 0.00 3.33 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 9.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 W 7.85 4.83 0.00 3.51 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.48 4.27 0.00 1.90 1.88 0.00 3.20 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00